2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene

C19H30O2 — CID 142112482

IUPAC2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
SMILESCC(C)(O)OCC1CC2C=CC1C2.CC1CC2C=CC1C2
InChIInChI=1S/C11H18O2.C8H12/c1-11(2,12)13-7-10-6-8-3-4-9(10)5-8;1-6-4-7-2-3-8(6)5-7/h3-4,8-10,12H,5-7H2,1-2H3;2-3,6-8H,4-5H2,1H3
InChIKeyXHYQDXBJMKRCHX-UHFFFAOYSA-N
MW290.45 g/mol
LogP4.16
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene

2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene (PubChem CID 142112482) has the molecular formula C19H30O2 and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
PubChem CID142112482
Molecular FormulaC19H30O2
Molecular Weight290.45 g/mol
Exact Mass290.22
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene
SMILESCC(C)(O)OCC1CC2C=CC1C2.CC1CC2C=CC1C2
InChIInChI=1S/C11H18O2.C8H12/c1-11(2,12)13-7-10-6-8-3-4-9(10)5-8;1-6-4-7-2-3-8(6)5-7/h3-4,8-10,12H,5-7H2,1-2H3;2-3,6-8H,4-5H2,1H3
InChIKeyXHYQDXBJMKRCHX-UHFFFAOYSA-N
XLogP4.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-2-methylpropan-2-ol
CID 58388555
[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-tert-butyl-dimethylsilane
CID 11436362
(1S,4S,5R)-5-ethylbicyclo[2.2.1]hept-2-ene
CID 96570682
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methoxy-dimethylalumane
CID 16687358
5-(2,2-dimethylpropyl)bicyclo[2.2.1]hept-2-ene;methoxymethane
CID 158426911
[4-(2-bicyclo[2.2.1]hept-5-enyl)-3,3-dichloro-2-methylbutan-2-yl]silane
CID 123972644
[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl N-[[(1S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methoxycarbonylamino]carbamate
CID 134883298
5-[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]-2-methylpent-3-yn-2-ol
CID 98153361
1-(2-bicyclo[2.2.1]hept-5-enylmethylamino)-2-methylpropan-2-ol
CID 65102612
5-(2-bicyclo[2.2.1]hept-5-enylmethoxy)-1,1,1,2,2,4,5,5-octafluoropentan-3-ol
CID 141181657
2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl-tris[(2-methylpropan-2-yl)oxy]silane
CID 169018395
[(1R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methyl butanoate
CID 91136467

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene (CID 142112482) is 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene is CC(C)(O)OCC1CC2C=CC1C2.CC1CC2C=CC1C2.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene?
The InChIKey is XHYQDXBJMKRCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2.C8H12/c1-11(2,12)13-7-10-6-8-3-4-9(10)5-8;1-6-4-7-2-3-8(6)5-7/h3-4,8-10,12H,5-7H2,1-2H3;2-3,6-8H,4-5H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene?
2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene has a molecular weight of 290.45 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enylmethoxy)propan-2-ol;5-methylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 142112482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).